Crystallography Open Database

Information card for entry 4500913

Preview

Coordinates	4500913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 N3 Ni4 O30
Calculated formula	C29 H44 N3 Ni4 O30
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	12.4225 ± 0.0004 Å
b	12.9981 ± 0.0002 Å
c	14.779 ± 0.0001 Å
α	64.384 ± 0.008°
β	80.885 ± 0.012°
γ	79.562 ± 0.012°
Cell volume	2107.54 ± 0.18 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0529
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.128
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179540 (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 4/50/09.	4500913.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500913.cif
34684	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500913 via cif-deposit CGI script.	4500913.cif