Crystallography Open Database

Information card for entry 4500912

Preview

Coordinates	4500912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N3 Ni1.5 O14.5
Calculated formula	C22 H16 N3 Ni1.5 O14.5
Title of publication	Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands
Authors of publication	Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	3273
a	15.3745 ± 0.001 Å
b	20.4521 ± 0.0014 Å
c	18.0331 ± 0.0013 Å
α	90°
β	93.104 ± 0.004°
γ	90°
Cell volume	5662 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4500912.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500912.cif
34683	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500912 via cif-deposit CGI script.	4500912.cif