Crystallography Open Database

Information card for entry 4308957

Preview

Coordinates	4308957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H22 Cl2 O10 P2 Zn
Calculated formula	C7 H22 Cl2 O10 P2 Zn
Title of publication	Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives
Authors of publication	Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2400 - 2406
a	7.0256 ± 0.0002 Å
b	9.5328 ± 0.0003 Å
c	14.3501 ± 0.0003 Å
α	75.735 ± 0.001°
β	83.738 ± 0.002°
γ	71.109 ± 0.002°
Cell volume	880.82 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308957.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308957.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308957.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308957.cif