Crystallography Open Database

Information card for entry 2019150

2019149 << 2019150 >> 2019151

Preview

Coordinates	2019150.cif
Structure factors	2019150.hkl
Original IUCr paper	HTML

Structure parameters

Common name	jonyj40
Chemical name	Bis(μ-dimethyl phosphito)-κ^2^<i>P</i>:<i>O</i>;κ^2^<i>O</i>:<i>P</i>-bis{methyl[tris(3,5,-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]rhodium(III)}
Formula	C36 H62 B2 N12 O6 P2 Rh2
Calculated formula	C36 H62 B2 N12 O6 P2 Rh2
SMILES	c1(cc(n2[n]1[Rh]13(C)([n]4c(cc(n4[BH]2n2c(cc([n]12)C)C)C)C)O[P](OC)(OC)[Rh]12([n]4c(cc(n4[BH](n4c(cc([n]14)C)C)n1c(cc([n]21)C)C)C)C)(O[P]3(OC)OC)C)C)C
Title of publication	A tris(pyrazolyl)borate rhodium phosphite complex that undergoes an Arbusov-like rearrangement
Authors of publication	Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	9
Pages of publication	939 - 942
a	10.1383 ± 0.0009 Å
b	10.6676 ± 0.001 Å
c	13.5193 ± 0.0013 Å
α	71.919 ± 0.002°
β	88.912 ± 0.002°
γ	67.725 ± 0.002°
Cell volume	1278.1 ± 0.2 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180860 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91.	2019150.cif 2019150.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019150.cif 2019150.hkl
89416	2013-10-25	cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr.	2019150.cif 2019150.hkl
89414	2013-10-24	cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures.	2019150.cif 2019150.hkl
88737	2013-10-02	cif/ Adding structures of 2019150 via cif-deposit CGI script.	2019150.cif