Crystallography Open Database

Information card for entry 4320370

4320369 << 4320370 >> 4320371

Preview

Coordinates	4320370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H43 Cl0.5 Cu N11.5 O15
Calculated formula	C16 H38 Cl0.5 Cu N11.5 O15
Title of publication	Carboxymethylated Cage Amines: Coordination and Lactamization
Authors of publication	Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5645 - 5652
a	11.01 ± 0.001 Å
b	12.943 ± 0.001 Å
c	19.68 ± 0.002 Å
α	90°
β	92.506 ± 0.001°
γ	90°
Cell volume	2801.8 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections	1.57
Goodness-of-fit parameter for all reflections included in the refinement	1.707
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.	4320370.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320370.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320370.cif
17278	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320370 via cif-deposit CGI script.	4320370.cif