Crystallography Open Database

Information card for entry 7201302

7201301 << 7201302 >> 7201303

Preview

Coordinates	7201302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Cd Cl2 O10 P2
Calculated formula	C13 H18 Cd Cl2 O10 P2
Title of publication	Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives
Authors of publication	Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2431
a	5.8432 ± 0.0001 Å
b	9.2266 ± 0.0002 Å
c	18.6853 ± 0.0005 Å
α	90°
β	91.103 ± 0.001°
γ	90°
Cell volume	1007.19 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180344 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/13.	7201302.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201302.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201302.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201302.cif