Crystallography Open Database

Information card for entry 4337756

Preview

Coordinates	4337756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H43 Cl N13 O2 U
Calculated formula	C56 H43 Cl N13 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	8.4712 ± 0.0007 Å
b	14.868 ± 0.0013 Å
c	20.3713 ± 0.0018 Å
α	80.382 ± 0.002°
β	81 ± 0.002°
γ	83.108 ± 0.002°
Cell volume	2486.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0377
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	4337756.cif
107717	2014-03-22	cif/ Adding structures of 4337754, 4337755, 4337756, 4337757 via cif-deposit CGI script.	4337756.cif