Crystallography Open Database

Information card for entry 7000181

Preview

Coordinates	7000181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H39 Co N5 O6
Calculated formula	C22 H38 Co N5 O6
Title of publication	Corroborative cobalt and zinc model compounds of α-amino-β-carboxymuconic-ε-semialdehyde decarboxylase (ACMSD)
Authors of publication	Gätjens, Jessica; Mullins, Christopher S.; Kampf, Jeff W.; Thuéry, Pierre; Pecoraro, Vincent L.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	51 - 62
a	21.3853 ± 0.0008 Å
b	13.2816 ± 0.0005 Å
c	9.9306 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2820.6 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179679 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/01.	7000181.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000181.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000181.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000181.cif