Crystallography Open Database

Information card for entry 7216041

Preview

Coordinates	7216041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Mn O10 P2
Calculated formula	C8 H14 Mn O10 P2
Title of publication	Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates
Authors of publication	Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	7043
a	18.825 ± 0.004 Å
b	8.3912 ± 0.0016 Å
c	9.2901 ± 0.0018 Å
α	90°
β	94.064 ± 0.003°
γ	90°
Cell volume	1463.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216041.cif
121583	2014-08-08	cif/ Updating files of 7216041, 7216042, 7216043, 7216044, 7216045, 7216046, 7216047, 7216048 Original log message: Adding full bibliography for 7216041--7216048.cif.	7216041.cif
114134	2014-05-22	cif/ Adding structures of 7216041, 7216042, 7216043, 7216044, 7216045, 7216046, 7216047, 7216048 via cif-deposit CGI script.	7216041.cif