Crystallography Open Database

Information card for entry 4344632

Preview

Coordinates	4344632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.67 H4.67 Co0.33 N0.67 O2.33 P0.67 S0.33
Calculated formula	C4.66667 H4.66667 Co0.333333 N0.666667 O2.33333 P0.666667 S0.333333
Title of publication	Particular Handedness Excess through Symmetry-Breaking Crystallization of a 3D Cobalt Phosphonate.
Authors of publication	Gao, Chao-Ying; Wang, Fei; Tian, Hong-Rui; Li, Lei-Jiao; Zhang, Jian; Sun, Zhong-Ming
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	537 - 539
a	9.7444 ± 0.0009 Å
b	9.2402 ± 0.0008 Å
c	10.0183 ± 0.0009 Å
α	90°
β	110.145 ± 0.001°
γ	90°
Cell volume	846.87 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
175533 (current)	2016-02-04	cif/ Adding structures of 4344632 via cif-deposit CGI script.	4344632.cif