Crystallography Open Database

Information card for entry 1560084

Preview

Coordinates	1560084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H174 Cl20 Mn6 Mo18 O74 P8
Calculated formula	C174 H174 Cl20 Mn6 Mo18 O74 P8
SMILES	CC1=CC(=[O][Mn]234(O1)[O]1[Mo]567([O]8=P9%10[O]%11%12[Mn]%13%14%15%16[O]%17[Mo]%18%191([O]%10[Mo]1(=[O]%13)(=O)(O[Mo]%10%13%20([O]9[Mo]9%21(=[O][Mn]%22%12([O]=%10)([O]%10[Mn]%12%23%11([O]=[Mo]8(=O)(O9)(O6)O[Mo]6([O]27)(=O)O[Mo](O%20)(O%21)(=O)O[Mo]([O]3%19)(O1)(=O)[O]46)[O]5[Mn]12%17([O]%14%12P34=[O]5[Mo]67(O2)(=O)O[Mo]25(O1)(=O)O[Mo]15([O]3[Mo]3%10(=O)([O]8[Mn]9%10%11(OC(=CC(=[O]%11)C)C)[O]%11[Mo]%128([O]4[Mo](=[O]%15)(=O)(O6)(O%12)O[Mo]4%11(=O)O[Mo](O2)(O7)(=O)O[Mo]([O]39)(O5)(=O)[O]%104)([O]%16%22)=O)O1)(=[O]%23)=O)[OH2])[OH2])(=O)O%13)=O)O%18)=O)=O)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl
Title of publication	A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
Authors of publication	Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	4
Pages of publication	1240 - 1244
a	17.3006 ± 0.0004 Å
b	19.39 ± 0.0004 Å
c	20.7716 ± 0.0004 Å
α	95.31 ± 0.002°
β	112.975 ± 0.002°
γ	99.33 ± 0.002°
Cell volume	6236.6 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
262533 (current)	2021-03-05	cif/ Updating files of 1560083, 1560084 Original log message: Adding full bibliography for 1560083--1560084.cif.	1560084.cif
260927	2021-01-14	cif/ Adding structures of 1560083, 1560084 via cif-deposit CGI script.	1560084.cif