Crystallography Open Database

Information card for entry 4333707

Preview

Coordinates	4333707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H59 B Na O8 P Si2
Calculated formula	C29 H59 B Na O8 P Si2
SMILES	P([BH3])(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]6CC[O]5CC[O]4CC1
Title of publication	Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study
Authors of publication	Keith Izod; James M. Watson; William Clegg; Ross W. Harrington
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1466 - 1475
a	30.851 ± 0.008 Å
b	11.927 ± 0.003 Å
c	22.254 ± 0.006 Å
α	90°
β	114.293 ± 0.003°
γ	90°
Cell volume	7464 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0548
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.6946 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179440 (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 4/33/37.	4333707.cif
99511	2014-01-31	cif/ Adding structures of 4333707 via cif-deposit CGI script.	4333707.cif