Crystallography Open Database

Information card for entry 4308815

Preview

Coordinates	4308815.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	00038
Formula	C80 H96 Br4 Mg4 N4 O15
Calculated formula	C80 H96 Br4 Mg4 N4 O15
Title of publication	Structural Variability and Dynamics in Carboxylato- and Carbamatomagnesium Bromides. Relationship to the Carboxylate Shift
Authors of publication	M. Tyler Caudle; William W. Brennessel; Victor G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3233 - 3240
a	13.186 ± 0.001 Å
b	13.981 ± 0.001 Å
c	23.562 ± 0.002 Å
α	97.387 ± 0.001°
β	92.529 ± 0.002°
γ	102.686 ± 0.001°
Cell volume	4190.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179126 (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 4/30/88.	4308815.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308815.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308815.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).	4308815.cif