Crystallography Open Database

Information card for entry 4510179

Preview

Coordinates	4510179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 N4 Ni2 O16
Calculated formula	C38 H28 N4 Ni2 O14
Title of publication	Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine
Authors of publication	Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1110
a	17.523 ± 0.008 Å
b	17.315 ± 0.009 Å
c	15.91 ± 0.008 Å
α	90°
β	108.41 ± 0.009°
γ	90°
Cell volume	4580 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.247
Weighted residual factors for all reflections included in the refinement	0.3078
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510179.cif
106399	2014-03-15	cif/ Adding structures of 4510171, 4510172, 4510173, 4510174, 4510175, 4510176, 4510177, 4510178, 4510179, 4510180, 4510181 via cif-deposit CGI script.	4510179.cif