Crystallography Open Database

Information card for entry 4089306

Preview

Coordinates	4089306.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 3iPr2c
Formula	C42.5 H62.25 B Cl3.25 N8 O2 Pd
Calculated formula	C42.74 H57 B Cl3.48 N8 O2 Pd
Title of publication	N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds
Authors of publication	Kujime, Masato; Hikichi, Shiro; Akita, Munetaka
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	19
Pages of publication	4049
a	13.6055 ± 0.0016 Å
b	16.6303 ± 0.0012 Å
c	23.331 ± 0.002 Å
α	90°
β	102.653 ± 0.002°
γ	90°
Cell volume	5150.8 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 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	0.117
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2712
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.465
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244973 (current)	2019-12-11	cif/4/08/93/ Corrected the values of the '_diffrn_radiation_type' and '_refine_ls_weighting_details' data items in entries 4089306-4089311 by replacing a sequence of malformed symbols with the backslash symbol ('\') after consulting the original publication.	4089306.cif
243607	2019-11-26	cif/ Adding structures of 4089306, 4089307, 4089308, 4089309, 4089310, 4089311 via cif-deposit CGI script.	4089306.cif