Crystallography Open Database

Information card for entry 4513637

Preview

Coordinates	4513637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H29 N7 O14 P2 Zn2
Calculated formula	C14 H8 N7 O14 P2 Zn2
Title of publication	Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	5021
a	15.444 ± 0.008 Å
b	17.895 ± 0.01 Å
c	8.979 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2482 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513637.cif
170045	2015-11-06	cif/ Updating files of 4513636, 4513637 Original log message: Adding full bibliography for 4513636--4513637.cif.	4513637.cif
158256	2015-09-24	cif/ Adding structures of 4513636, 4513637 via cif-deposit CGI script.	4513637.cif