Crystallography Open Database

Information card for entry 4309426

Preview

Coordinates	4309426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 Cl3 Cu2 N8 O14
Calculated formula	C36 H57 Cl3 Cu2 N8 O14.02
Title of publication	Squeezing the [Cu-OH...H2O-Cu]3+ Bridge by Cryptate Encapsulation
Authors of publication	Andrew D. Bond; Sofia Derossi; Frank Jensen; Frank B. Larsen; Christine J. McKenzie; Jane Nelson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5987 - 5989
a	9.8716 ± 0.0007 Å
b	9.8716 ± 0.0007 Å
c	25.642 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2164 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179132 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94.	4309426.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309426.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309426.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).	4309426.cif