Crystallography Open Database

Information card for entry 7216008

Preview

Coordinates	7216008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H41 N5 Ni O8
Calculated formula	C45 H41 N5 Ni O8
Title of publication	Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation
Authors of publication	Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen
Journal of publication	CrystEngComm
Year of publication	2014
a	7.2985 ± 0.0004 Å
b	16.4843 ± 0.001 Å
c	34.438 ± 0.002 Å
α	90 ± 0.001°
β	90 ± 0.002°
γ	90 ± 0.002°
Cell volume	4143.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180491 (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 7/21/60.	7216008.cif
113998	2014-05-20	cif/ Adding structures of 7216006, 7216007, 7216008, 7216009 via cif-deposit CGI script.	7216008.cif