Crystallography Open Database

Information card for entry 4500914

Preview

Coordinates	4500914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N3 Ni2 O10.5
Calculated formula	C25 H21 N3 Ni2 O10.5
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	17.6574 ± 0.0004 Å
b	17.6574 ± 0.0004 Å
c	18.6518 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5815.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4500914.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500914.cif
34685	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500914 via cif-deposit CGI script.	4500914.cif