Crystallography Open Database

Information card for entry 7201303

7201302 << 7201303 >> 7201304

Preview

Coordinates	7201303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.5 H21 Cd1.5 Cl2 O13 P2
Calculated formula	C4.5 H21 Cd1.5 Cl2 O13 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	31.2205 ± 0.0003 Å
b	10.1546 ± 0.0001 Å
c	11.651 ± 0.0001 Å
α	90°
β	103.107 ± 0.001°
γ	90°
Cell volume	3597.51 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0283
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	7201303.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201303.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201303.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201303.cif