Crystallography Open Database

Information card for entry 4511973

4511972 << 4511973 >> 4511974

Preview

Coordinates	4511973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cd N5 O4
Calculated formula	C8 H8 Cd N5 O4
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	12.8331 ± 0.0019 Å
b	15.626 ± 0.002 Å
c	7.545 ± 0.0011 Å
α	90°
β	93.225 ± 0.003°
γ	90°
Cell volume	1510.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.2597
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4511973.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.	4511973.cif
123800	2014-09-12	cif/ Adding structures of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 via cif-deposit CGI script.	4511973.cif