Crystallography Open Database

Information card for entry 4340434

Preview

Coordinates	4340434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 N2 O4 Zn
Calculated formula	C12 H8 N2 O4 Zn
Title of publication	A solvothermally in situ generated mixed-ligand approach for NLO-active metal-organic framework materials.
Authors of publication	Wang, Yong-Tao; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4148 - 4150
a	21.795 ± 0.005 Å
b	9.318 ± 0.003 Å
c	6.012 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1221 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340434.cif
119847	2014-07-09	cif/ Adding structures of 4340434, 4340435 via cif-deposit CGI script.	4340434.cif