Crystallography Open Database

Information card for entry 7214577

Preview

Coordinates	7214577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H80 Cl10 N16 O6 P2 Zn4
Calculated formula	C56 H80 Cl10 N16 O6 P2 Zn4
Title of publication	Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))
Authors of publication	Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7419
a	18.985 ± 0.005 Å
b	14.238 ± 0.005 Å
c	15.264 ± 0.005 Å
α	90°
β	109.48 ± 0.005°
γ	90°
Cell volume	3890 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214577.cif
110311	2014-04-18	cif/ Adding structures of 7214576, 7214577, 7214578, 7214579 via cif-deposit CGI script.	7214577.cif