Crystallography Open Database

Information card for entry 7008556

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Coordinates	7008556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 B2 O6 Zr
Calculated formula	C22 H10 B2 O6 Zr
Title of publication	Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).
Authors of publication	Hawkeswood, Sarah; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	12
Pages of publication	2182 - 2187
a	20.276 ± 0.011 Å
b	13.162 ± 0.008 Å
c	19.54 ± 0.011 Å
α	90°
β	100.694 ± 0.013°
γ	90°
Cell volume	5124 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1848
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.241
Weighted residual factors for all reflections included in the refinement	0.2934
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179789 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/85.	7008556.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008556.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008556.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008556.cif