Crystallography Open Database

Information card for entry 4106959

Preview

Coordinates	4106959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.8 H40.6 B18 Cl1.6 Co N P
Calculated formula	C20.8 H40.6 B18 Cl1.6 Co N P
Title of publication	Relaxed but Highly Compact Diansa Metallacyclophanes
Authors of publication	Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16537 - 16552
a	10.508 ± 0.003 Å
b	15.676 ± 0.003 Å
c	20.258 ± 0.007 Å
α	90°
β	90.323 ± 0.002°
γ	90°
Cell volume	3336.9 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0728
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106959.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106959.cif
54489	2012-04-27	cif/ Adding structures of 4106959 via cif-deposit CGI script.	4106959.cif