Crystallography Open Database

Information card for entry 7010401

Preview

Coordinates	7010401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H48 Cl4 Cu2 N8 O2
Calculated formula	C17 H44 Cl4 Cu2 N8 O2
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	12.531 ± 0.004 Å
b	12.271 ± 0.002 Å
c	10.075 ± 0.002 Å
α	99.22 ± 0.01°
β	112.61 ± 0.02°
γ	90.64 ± 0.02°
Cell volume	1407.2 ± 0.6 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	0.059
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections	2.085
Goodness-of-fit parameter for all reflections included in the refinement	2.262
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
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.	7010401.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010401.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010401.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010401.cif