Crystallography Open Database

Information card for entry 4511971

4511970 << 4511971 >> 4511972

Preview

Coordinates	4511971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cd Cl2 N6 O6
Calculated formula	C8 H12 Cd Cl2 N6 O6
Title of publication	Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant
Authors of publication	Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	5042
a	7.2795 ± 0.0018 Å
b	9.856 ± 0.003 Å
c	10.962 ± 0.003 Å
α	82.736 ± 0.004°
β	81.059 ± 0.004°
γ	78.575 ± 0.004°
Cell volume	757.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179666 (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 4/51/19.	4511971.cif
124639	2014-10-06	cif/ Updating files of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 Original log message: Adding full bibliography for 4511966--4511973.cif.	4511971.cif
123800	2014-09-12	cif/ Adding structures of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 via cif-deposit CGI script.	4511971.cif