Crystallography Open Database

Information card for entry 7010398

Preview

Coordinates	7010398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H112 Cl8 Cu4 N16 O26
Calculated formula	C44 H112 Cl8 Cu4 N16 O26
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	42.632 ± 0.003 Å
b	9.9729 ± 0.0008 Å
c	18.659 ± 0.001 Å
α	90°
β	101.365 ± 0.001°
γ	90°
Cell volume	7777.6 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections	1.201
Goodness-of-fit parameter for all reflections included in the refinement	1.397
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.	7010398.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010398.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010398.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010398.cif