Crystallography Open Database

Information card for entry 4507617

Preview

Coordinates	4507617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 N3 Ni2 O12.5
Calculated formula	C26 H14 N2 Ni2 O11
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	10.7647 ± 0.0002 Å
b	10.7647 ± 0.0002 Å
c	26.7578 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2685.25 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4507617.cif
85586	2013-05-07	cif/ Adding structures of 4507616, 4507617, 4507618, 4507619 via cif-deposit CGI script.	4507617.cif