Crystallography Open Database

Information card for entry 4320369

4320368 << 4320369 >> 4320370

Preview

Coordinates	4320369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H45 Cl3 Cu N8 O5
Calculated formula	C20 H45 Cl3 Cu N8 O5
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	9.804 ± 0.001 Å
b	14.558 ± 0.002 Å
c	20.358 ± 0.003 Å
α	90°
β	103.913 ± 0.002°
γ	90°
Cell volume	2820.4 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections	1.256
Goodness-of-fit parameter for all reflections included in the refinement	1.372
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.	4320369.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320369.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320369.cif
17277	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320369 via cif-deposit CGI script.	4320369.cif