Crystallography Open Database

Information card for entry 4311926

4311925 << 4311926 >> 4311927

Preview

Coordinates	4311926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 N4 O4 Pd2
Calculated formula	C44 H56 N4 O4 Pd2
SMILES	O1c2cc3O[Pd]4(N(c3cc2N([Pd]21[n]1c3c(C2)cccc3ccc1)CC(C)(C)C)CC(C)(C)C)[n]1c2c(C4)cccc2ccc1.O1CCCC1.O1CCCC1
Title of publication	Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion
Authors of publication	Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6944 - 6953
a	15.612 ± 0.002 Å
b	12.394 ± 0.002 Å
c	22.147 ± 0.002 Å
α	90°
β	107.84 ± 0.05°
γ	90°
Cell volume	4079.3 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0786
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179158 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19.	4311926.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311926.cif
3428	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311926 via cif-deposit CGI script.	4311926.cif