Crystallography Open Database

Information card for entry 7022871

Preview

Coordinates	7022871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H43 Br P2 Pd
Calculated formula	C24 H43 Br P2 Pd
SMILES	c12c3cccc2C[P]([Pd]1([P](C3)(C(C)(C)C)C(C)(C)C)Br)(C(C)(C)C)C(C)(C)C
Title of publication	Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.
Authors of publication	Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8484 - 8491
a	16.5019 ± 0.0005 Å
b	16.5019 ± 0.0005 Å
c	19.6449 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	4632.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7022871.cif
90364	2013-11-17	cif/ Adding structures of 7022866, 7022867, 7022868, 7022869, 7022870, 7022871, 7022872, 7022873, 7022874, 7022875, 7022876, 7022877, 7022878, 7022879, 7022880, 7022881, 7022882, 7022883, 7022884, 7022885, 7022886, 7022887 via cif-deposit CGI script.	7022871.cif