Crystallography Open Database

Information card for entry 4316400

Preview

Coordinates	4316400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H21 Br8 Cu N4 O2
Calculated formula	C43.5 H21 Br8 Cu N4 O2
Title of publication	Nonplanar, Noninnocent, and Chiral: A Strongly Saddled Metallocorrole
Authors of publication	Abraham B. Alemayehu; Lars Kristian Hansen; Abhik Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7608 - 7610
a	9.406 ± 0.002 Å
b	12.929 ± 0.003 Å
c	18.405 ± 0.004 Å
α	91.566 ± 0.005°
β	95.014 ± 0.005°
γ	104.131 ± 0.007°
Cell volume	2159.5 ± 0.8 Å³
Cell temperature	293.1 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 significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4316400.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316400.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316400.cif
9596	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316400 via cif-deposit CGI script.	4316400.cif