Crystallography Open Database

Information card for entry 7239163

Preview

Coordinates	7239163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H11 Mn N O8 P2
Calculated formula	C7 H11 Mn N O8 P2
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	5.5529 ± 0.0011 Å
b	16.196 ± 0.003 Å
c	12.86 ± 0.003 Å
α	90°
β	98.23 ± 0.03°
γ	90°
Cell volume	1144.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	7239163.cif