Crystallography Open Database

Information card for entry 7216865

Preview

Coordinates	7216865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Mo2 N3 Ni O7
Calculated formula	C15 H12 Mo2 N3 Ni O7
Title of publication	A novel POMos-based hybrid with penta-coordinated Mo in trigonal bipyramid: structure and an efficient precursor for hydrodesulfurization catalyst
Authors of publication	Liang, Ji-Lei; Lu, Yu-Kun; Zhao, Jin-chong; Li, Xue-Hui; Pan, Yuan; Wu, Meng-Meng; Liu, Yun-Qi; Liu, Chen-Guang
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	53
Pages of publication	27787
a	7.1747 ± 0.0005 Å
b	11.1258 ± 0.0013 Å
c	11.4017 ± 0.0008 Å
α	98.021 ± 0.008°
β	90.098 ± 0.006°
γ	106.227 ± 0.008°
Cell volume	864.53 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216865.cif
118264	2014-06-28	cif/ Adding structures of 7216865 via cif-deposit CGI script.	7216865.cif