Crystallography Open Database

Information card for entry 7026591

Preview

Coordinates	7026591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N O19 P2 Zn3
Calculated formula	C22 H21 N O19 P2 Zn3
Title of publication	Systematic exploration of a rutile-type zinc(II)-phosphonocarboxylate open framework: the factors that influence the structure.
Authors of publication	Ling, Yun; Liao, Teng-Biao; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10712 - 10718
a	13.707 ± 0.005 Å
b	17.121 ± 0.007 Å
c	36.018 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	8453 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
179971 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65.	7026591.cif
93539	2014-01-13	cif/ Adding structures of 7026591, 7026592, 7026593, 7026594, 7026595, 7026596, 7026597, 7026598, 7026599 via cif-deposit CGI script.	7026591.cif