Crystallography Open Database

Information card for entry 4507619

Preview

Coordinates	4507619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H41 N4 Ni3 O22
Calculated formula	C52 H28 N4 Ni3 O22
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	9.7011 ± 0.0005 Å
b	9.7984 ± 0.0005 Å
c	14.9629 ± 0.0007 Å
α	89.705 ± 0.004°
β	79.165 ± 0.004°
γ	68.68 ± 0.005°
Cell volume	1298.24 ± 0.12 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	0.0703
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.1993
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	4507619.cif
85586	2013-05-07	cif/ Adding structures of 4507616, 4507617, 4507618, 4507619 via cif-deposit CGI script.	4507619.cif