Crystallography Open Database

Information card for entry 7239160

Preview

Coordinates	7239160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cu3 N2 O18 P4
Calculated formula	C16 H18 Cu3 N2 O18 P4
Title of publication	Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties
Authors of publication	Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	40
Pages of publication	18430
a	8.6015 ± 0.0017 Å
b	8.9334 ± 0.0018 Å
c	9.6326 ± 0.0019 Å
α	109.44 ± 0.03°
β	99.01 ± 0.03°
γ	110.06 ± 0.03°
Cell volume	624.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0641
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
244576 (current)	2019-11-28	cif/ Adding structures of 7239156, 7239157, 7239158, 7239159, 7239160, 7239161, 7239162, 7239163 via cif-deposit CGI script.	7239160.cif