Crystallography Open Database

Information card for entry 4325983

Preview

Coordinates	4325983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 B11 F2 N P2 Pd
Calculated formula	C25 H46 B11 F2 N P2 Pd
Title of publication	Net Heterolytic Cleavage of B-H and B-B Bonds Across the N-Pd Bond in a Cationic (PNP)Pd Fragment
Authors of publication	Yanjun Zhu; Chun-Hsing Chen; Claudia M. Fafard; Bruce M. Foxman; Oleg V. Ozerov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7980 - 7987
a	13.3681 ± 0.0005 Å
b	15.0979 ± 0.0005 Å
c	16.8618 ± 0.0006 Å
α	90°
β	96.191 ± 0.002°
γ	90°
Cell volume	3383.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for all reflections	0.1086
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	0.9822
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325983.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325983.cif
47024	2012-03-22	../uploads/cif-deposit/cod/cif Adding structures of 4325983 via cif-deposit CGI script.	4325983.cif