Crystallography Open Database

Information card for entry 4505597

Preview

Coordinates	4505597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N4 Ni O5
Calculated formula	C23 H17 N4 Ni O5
Title of publication	Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer
Authors of publication	Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1603
a	8.151 ± 0.001 Å
b	9.852 ± 0.0012 Å
c	12.035 ± 0.0015 Å
α	81.615 ± 0.002°
β	89.711 ± 0.002°
γ	83.209 ± 0.002°
Cell volume	949.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1069
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
179590 (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 4/50/55.	4505597.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505597.cif
51828	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505596, 4505597, 4505598, 4505599, 4505600 via cif-deposit CGI script.	4505597.cif