Crystallography Open Database

Information card for entry 4509898

Preview

Coordinates	4509898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 N O5 Zn
Calculated formula	C17 H12 N O5 Zn
Title of publication	Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Authors of publication	Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	491
a	10.9063 ± 0.0004 Å
b	10.9553 ± 0.0004 Å
c	16.599 ± 0.0007 Å
α	90°
β	101.655 ± 0.001°
γ	90°
Cell volume	1942.39 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179634 (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 4/50/98.	4509898.cif
104115	2014-03-10	cif/ Adding structures of 4509897, 4509898, 4509899, 4509900, 4509901 via cif-deposit CGI script.	4509898.cif