Crystallography Open Database

Information card for entry 7205180

7205179 << 7205180 >> 7205181

Preview

Coordinates	7205180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H46 Cl2 N12 Ni3 O9
Calculated formula	C57 H42 Cl2 N12 Ni3 O9
Title of publication	Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands
Authors of publication	Zhang, Jing; Zhu, Long-Guan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	553
a	11.9829 ± 0.0013 Å
b	13.6251 ± 0.0015 Å
c	18.421 ± 0.002 Å
α	101.895 ± 0.004°
β	102.698 ± 0.004°
γ	101.016 ± 0.004°
Cell volume	2781.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
180382 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51.	7205180.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205180.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205180.cif
14567	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205180, 7205181, 7205182 via cif-deposit CGI script.	7205180.cif