Crystallography Open Database

Information card for entry 4507616

Preview

Coordinates	4507616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 N Ni O6
Calculated formula	C13 H7 N Ni O6
Title of publication	From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand
Authors of publication	Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1618
a	6.3725 ± 0.0004 Å
b	7.7363 ± 0.0005 Å
c	12.7332 ± 0.001 Å
α	74.359 ± 0.006°
β	83.755 ± 0.006°
γ	83.938 ± 0.005°
Cell volume	599 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
179612 (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 4/50/76.	4507616.cif
85586	2013-05-07	cif/ Adding structures of 4507616, 4507617, 4507618, 4507619 via cif-deposit CGI script.	4507616.cif