Crystallography Open Database

Information card for entry 4318805

Preview

Coordinates	4318805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C166 H170 Ca N19 O25 P3
Calculated formula	C166 H155.97 Ca N19 O25 P3
Title of publication	Mononuclear Ca(II)-Bulky Aryl-Phosphate Monoanion and Dianion Complexes with Ortho-Amide Groups
Authors of publication	Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6038 - 6047
a	19.128 ± 0.004 Å
b	19.128 ± 0.004 Å
c	27.937 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	8852 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2033
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.249
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179268 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/88.	4318805.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318805.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318805.cif
15531	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318805 via cif-deposit CGI script.	4318805.cif