Crystallography Open Database

Information card for entry 4063577

Preview

Coordinates	4063577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 B2 Cl2 Zr
Calculated formula	C10 H12 B2 Cl2 Zr
Title of publication	Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand
Authors of publication	Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	16
Pages of publication	4330
a	7.0695 ± 0.0007 Å
b	11.1207 ± 0.0011 Å
c	15.5863 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1225.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
178530 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35.	4063577.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063577.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063577.cif
25633	2011-09-13	../uploads/cif-deposit/cod/cif Adding structures of 4063574, 4063575, 4063576, 4063577, 4063578, 4063579 via cif-deposit CGI script.	4063577.cif