Crystallography Open Database

Information card for entry 2238791

Preview

Coordinates	2238791.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)] [pentahydrogen di(phosphatooctadecatungsten)] tetradecahydrate
Formula	C26 H102 Co4 N18 Na O154 P4 W36
Calculated formula	C26 H102 Co4 N18 Na O154 P4 W36
SMILES	C1(=O)C(=O)O[Co]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)O1.C1[NH2][Co]23([NH2]C1)([NH2]CC[NH2]2)OC(=O)C(=O)O3.[NH3+]CC[NH3+].O1[W]234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15(O[W]%161(O8)(=O)O[W]18(O3)(O[W]3%17(O[W]%18%19%20(O[W]%21%22(O[W]%23(O2)(O5)(=O)O[W]25(=O)(O[W]%24%25(O%18)(O[W]%18([O]%24P([O]3%19)(=[O]%11)[O]3%11[W]%19(O%25)(O%20)(O[W]3(O%13)(O[W]%11(O%14)(O%17)(=O)O%19)(O%18)=O)=O)(O%12)(O[W](O2)(O7)([O]5=P([O]46%23)([O]%10%16)[O]8%22)(O9)=O)=O)=O)O%21)(O1)=O)=O)(=O)O%15)=O)=O)=O)=O)=O)=O.[Na+].O.O.O.O.O.O.O.C1(=O)C(=O)O[Co]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)O1.C1[NH2][Co]23([NH2]C1)([NH2]CC[NH2]2)OC(=O)C(=O)O3.O1[W]234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15%16([O]%17%18P%19([O]%20[W]%21%22%23(O[W]%24%25%26(O[W]%27(O2)(O5)(=O)O[W]25(=O)(O[W]%28%29(O%21)(O[W]([O]%19%28)(O%13)(O[W](O2)(O7)([O]5=P2([O]46%27)[O]%10[W]41(O[W]1(O[W]%18(O%15)(=O)(O[W]%17(O%14)(=O)(O%29)O%23)O[W]%20(O%22)(O[W](O3)(=O)(O%24)(O4)[O]%262)(=O)O1)(O%11)=O)(O8)=O)(O9)=O)(O%16)=O)=O)O%25)=O)=O)=[O]%12)=O)=O)=O)=O)=O.O.O.O.O.O.O.O
Title of publication	Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)] [pentahydrogen di(phosphatooctadecatungstate)] tetradecahydrate
Authors of publication	Zhang, Shuzhuo; Wang, Jing; Xu, Yun
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m605 - m606
a	14.5999 ± 0.0004 Å
b	16.5714 ± 0.0004 Å
c	18.0165 ± 0.0004 Å
α	83.693 ± 0.002°
β	84.586 ± 0.002°
γ	87.992 ± 0.002°
Cell volume	4311.88 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238791.cif
91208	2013-12-09	cif/ Adding structures of 2238791 via cif-deposit CGI script.	2238791.cif