Crystallography Open Database

Information card for entry 4318206

Preview

Coordinates	4318206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H60 Cd2.75 N3.5 O29.5 P2
Calculated formula	C15 H28 Cd2.75 N3.5 O29.5 P2
Title of publication	Synthesis, Characterization, and Crystal Structures of Two New Divalent Metal Complexes of N,N'-Bis(phosphonomethyl)-1,10-diaza-18-crown-6: A Hydrogen-Bonded 1D Array and a 3D Network with a Large Channel
Authors of publication	Jiang-Gao Mao; Zhike Wang; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3713 - 3720
a	20.815 ± 0.0009 Å
b	20.815 ± 0.0009 Å
c	18.5846 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8052 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4318206.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318206.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318206.cif
14505	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318206 via cif-deposit CGI script.	4318206.cif