Crystallography Open Database

Information card for entry 4506794

Preview

Coordinates	4506794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 N2 Ni O7
Calculated formula	C27 H22 N2 Ni O7
Title of publication	Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands
Authors of publication	Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4649
a	19.623 ± 0.009 Å
b	12.731 ± 0.006 Å
c	11.297 ± 0.005 Å
α	90°
β	116.725 ± 0.005°
γ	90°
Cell volume	2521 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179603 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67.	4506794.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506794.cif
71819	2013-01-21	cif/ Adding structures of 4506794 via cif-deposit CGI script.	4506794.cif