Crystallography Open Database

Information card for entry 4341588

Preview

Coordinates	4341588.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 3
Formula	C204 H276 Cr4 N16 O16
Calculated formula	C204 H276 Cr4 N16 O16
Title of publication	From Chromium-Chromium Quintuple Bonds to Molecular Squares and Porous Coordination Polymers.
Authors of publication	Noor, Awal; Tamne, Emmanuel Sobgwi; Oelkers, Benjamin; Bauer, Tobias; Demeshko, Serhiy; Meyer, Franc; Heinemann, Frank W.; Kempe, Rhett
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141110123258001
a	22.653 ± 0.0011 Å
b	46.285 ± 0.002 Å
c	18.5618 ± 0.0008 Å
α	90°
β	108.21 ± 0.002°
γ	90°
Cell volume	18487.2 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1301
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341588.cif
127361	2014-11-16	cif/ Adding structures of 4341587, 4341588, 4341589 via cif-deposit CGI script.	4341588.cif