Crystallography Open Database

Information card for entry 4001049

Preview

Coordinates	4001049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 B Li N9 O
Calculated formula	C32 H31 B Li N9 O
Title of publication	Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks
Authors of publication	Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	16
Pages of publication	3830
a	12.4369 ± 0.0003 Å
b	13.4869 ± 0.0003 Å
c	17.8943 ± 0.0003 Å
α	90°
β	90.709 ± 0.001°
γ	90°
Cell volume	3001.27 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1006
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001049.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001049.cif
38942	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001047, 4001048, 4001049 via cif-deposit CGI script.	4001049.cif