Crystallography Open Database

Information card for entry 4512762

Preview

Coordinates	4512762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H6 Br4 N2 O5 U
Calculated formula	C11 H6 Br4 N2 O5 U
Title of publication	Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution
Authors of publication	Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1395
a	8.3785 ± 0.0003 Å
b	19.437 ± 0.0008 Å
c	22.0629 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3593 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179675 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/27.	4512762.cif
134739	2015-04-04	cif/ Updating files of 4512755, 4512756, 4512757, 4512758, 4512759, 4512760, 4512761, 4512762 Original log message: Adding full bibliography for 4512755--4512762.cif.	4512762.cif
132235	2015-02-22	cif/ Adding structures of 4512755, 4512756, 4512757, 4512758, 4512759, 4512760, 4512761, 4512762 via cif-deposit CGI script.	4512762.cif