Crystallography Open Database

Information card for entry 4510722

Preview

Coordinates	4510722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Cd I2 N5
Calculated formula	C8 H11 Cd I2 N5
Title of publication	Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions
Authors of publication	Mohapatra, Balaram; Verma, Sandeep
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2716
a	7.219 ± 0.005 Å
b	8.659 ± 0.005 Å
c	22.367 ± 0.005 Å
α	90 ± 0.005°
β	90.68 ± 0.005°
γ	90 ± 0.005°
Cell volume	1398 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510722.cif
113130	2014-05-08	cif/ Adding structures of 4510720, 4510721, 4510722, 4510723, 4510724 via cif-deposit CGI script.	4510722.cif