Crystallography Open Database

Information card for entry 4507274

Preview

Coordinates	4507274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cd N4 O7
Calculated formula	C18 H18 Cd N4 O7
Title of publication	Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties
Authors of publication	Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	731
a	29.2 ± 0.002 Å
b	11.9144 ± 0.0009 Å
c	14.0146 ± 0.001 Å
α	90°
β	92.054 ± 0.007°
γ	90°
Cell volume	4872.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179608 (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 4/50/72.	4507274.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507274.cif
73883	2013-02-21	cif/ Adding structures of 4507274, 4507275, 4507276, 4507277 via cif-deposit CGI script.	4507274.cif