Crystallography Open Database

Information card for entry 7206742

7206741 << 7206742 >> 7206743

Preview

Coordinates	7206742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H27 N3 O17 P4 Zn3
Calculated formula	C16.5 H15 N3 O17 P4 Zn3
Title of publication	New zinc diphosphonates with bright tunable luminescence and 12-member ring channels
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6334
a	9.646 ± 0.003 Å
b	9.41 ± 0.003 Å
c	30.929 ± 0.01 Å
α	90°
β	93.338 ± 0.005°
γ	90°
Cell volume	2802.6 ± 1.5 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	0.0854
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206742.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206742.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206742.cif
29997	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206741, 7206742 via cif-deposit CGI script.	7206742.cif