Crystallography Open Database

Information card for entry 7010399

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Coordinates	7010399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H29 Cl4 Co N6 O
Calculated formula	C9 H29 Cl4 Co N6 O
SMILES	[Co]123(Cl)([NH2]CC[NH2]1)[NH2]CC[NH]2CC1[NH]3CC[NH2+]C1.[Cl-].[Cl-].[Cl-].O
Title of publication	Inter- and intra-molecular pathways in polyamine synthesis from diamines †
Authors of publication	Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	5
Pages of publication	707
a	11.265 ± 0.004 Å
b	10.177 ± 0.002 Å
c	8.382 ± 0.002 Å
α	97.91 ± 0.02°
β	97.51 ± 0.03°
γ	107.01 ± 0.02°
Cell volume	895.2 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.035
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections	1.159
Goodness-of-fit parameter for all reflections included in the refinement	1.273
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7010399.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010399.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010399.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010399.cif