Crystallography Open Database

Information card for entry 4337754

Preview

Coordinates	4337754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 Cl2 N7 O2 U
Calculated formula	C29 H23 Cl2 N7 O2 U
Title of publication	Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.
Authors of publication	Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2506 - 2515
a	12.2371 ± 0.0009 Å
b	18.0253 ± 0.0013 Å
c	14.2323 ± 0.001 Å
α	90°
β	115.091 ± 0.002°
γ	90°
Cell volume	2843.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.035
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179480 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/77.	4337754.cif
107717	2014-03-22	cif/ Adding structures of 4337754, 4337755, 4337756, 4337757 via cif-deposit CGI script.	4337754.cif