Crystallography Open Database

Information card for entry 4325785

Preview

Coordinates	4325785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H74 Co3 N6 O32 S6
Calculated formula	C76 H74 Co3 N6 O32 S6
Title of publication	Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands
Authors of publication	Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7142 - 7149
a	9.3558 ± 0.0006 Å
b	12.8995 ± 0.0008 Å
c	18.9172 ± 0.0012 Å
α	108.111 ± 0.001°
β	98.212 ± 0.001°
γ	94.28 ± 0.001°
Cell volume	2130.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0535
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179360 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57.	4325785.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325785.cif
46821	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325785 via cif-deposit CGI script.	4325785.cif