Crystallography Open Database

Information card for entry 4503196

Preview

Coordinates	4503196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H144 N14 O53 P6 Zn9
Calculated formula	C90 H98 N14 O53 P6 Zn9
Title of publication	Zinc(II) Phosphonate Cage Compounds Derived from Zn6(Zn)L6Centered Octahedral Cores
Authors of publication	Guo, Ya-Qin; Yang, Bing-Ping; Song, Jun-Ling; Mao, Jiang-Gao
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	600
a	16.497 ± 0.004 Å
b	22.453 ± 0.005 Å
c	17.775 ± 0.004 Å
α	90°
β	113.642 ± 0.003°
γ	90°
Cell volume	6031 ± 2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503196.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503196.cif
41401	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503196 via cif-deposit CGI script.	4503196.cif