Crystallography Open Database

Information card for entry 4502449

Preview

Coordinates	4502449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N4 Ni O4
Calculated formula	C28 H30 N4 Ni O4
Title of publication	Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates
Authors of publication	He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	895
a	20.351 ± 0.004 Å
b	7.3805 ± 0.0016 Å
c	18.116 ± 0.004 Å
α	90°
β	98.893 ± 0.004°
γ	90°
Cell volume	2688.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1182
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179555 (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 4/50/24.	4502449.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502449.cif
36421	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502449 via cif-deposit CGI script.	4502449.cif