Crystallography Open Database

Information card for entry 4511972

4511971 << 4511972 >> 4511973

Preview

Coordinates	4511972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Cd2 N12 O14
Calculated formula	C16 H24 Cd2 N12 O14
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	9.772 ± 0.005 Å
b	11.071 ± 0.005 Å
c	12.865 ± 0.005 Å
α	106.417 ± 0.005°
β	90.094 ± 0.005°
γ	90.033 ± 0.005°
Cell volume	1335.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
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.	4511972.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.	4511972.cif
123800	2014-09-12	cif/ Adding structures of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 via cif-deposit CGI script.	4511972.cif