Crystallography Open Database

Information card for entry 4340435

Preview

Coordinates	4340435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cd N4 O5
Calculated formula	C12 H14 Cd N4 O5
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	9.6001 ± 0.001 Å
b	8.6181 ± 0.0009 Å
c	11.4781 ± 0.0012 Å
α	90°
β	107.693 ± 0.002°
γ	90°
Cell volume	904.72 ± 0.16 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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.	4340435.cif
119847	2014-07-09	cif/ Adding structures of 4340434, 4340435 via cif-deposit CGI script.	4340435.cif