Crystallography Open Database

Information card for entry 4309022

Preview

Coordinates	4309022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H80.5 Cl4 N8 O15.75 P2
Calculated formula	C36.5 H80.5 Cl4 N8 O15.75 P2
Title of publication	Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand
Authors of publication	Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2143 - 2149
a	30.9882 ± 0.0017 Å
b	20.6547 ± 0.0011 Å
c	32.8991 ± 0.0018 Å
α	90°
β	90.456 ± 0.002°
γ	90°
Cell volume	21056 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1379
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2839
Weighted residual factors for all reflections included in the refinement	0.3049
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4309022.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309022.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309022.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309022.cif