Crystallography Open Database

Information card for entry 4503198

Preview

Coordinates	4503198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H114 N10 O46 P6 Zn9
Calculated formula	C62 H82 N10 O46 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	28 ± 0.018 Å
b	22.383 ± 0.013 Å
c	19.152 ± 0.011 Å
α	90°
β	103.003 ± 0.013°
γ	90°
Cell volume	11695 ± 12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1111
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2581
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4503198.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503198.cif
41403	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503198 via cif-deposit CGI script.	4503198.cif