Crystallography Open Database

Information card for entry 4324268

Preview

Coordinates	4324268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H104 Co2 N4 O12
Calculated formula	C81 H104 Co2 N4 O12
Title of publication	Thermally Induced and Photoinduced Valence Tautomerism in a Two-Dimensional Coordination Polymer
Authors of publication	Bao Li; Li-Qin Chen; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	424 - 426
a	10.408 ± 0.002 Å
b	20.925 ± 0.004 Å
c	47.922 ± 0.01 Å
α	90°
β	96.21 ± 0.03°
γ	90°
Cell volume	10376 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1741
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2351
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
179345 (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 4/32/42.	4324268.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324268.cif
40973	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324268 via cif-deposit CGI script.	4324268.cif