Crystallography Open Database

Information card for entry 7216046

Preview

Coordinates	7216046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 O20 P4 Zn
Calculated formula	C16 H34 O20 P4 Zn
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	12.3549 ± 0.0013 Å
b	7.8244 ± 0.0008 Å
c	15.3271 ± 0.0016 Å
α	90°
β	93.924 ± 0.002°
γ	90°
Cell volume	1478.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0783
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7216046.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.	7216046.cif
114134	2014-05-22	cif/ Adding structures of 7216041, 7216042, 7216043, 7216044, 7216045, 7216046, 7216047, 7216048 via cif-deposit CGI script.	7216046.cif