Crystallography Open Database

Information card for entry 2102522

Preview

Coordinates	2102522.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	bis(2,2'-bis(p-tolylphosphin)-1,1-binaphthyl)-palladium(0) benzene solvate
Formula	C120 H104 P4 Pd
Calculated formula	C120 P4 Pd
SMILES	[Pd]12([P](c3ccc(cc3)C)(c3ccc(cc3)C)c3ccc4ccccc4c3c3c4ccccc4ccc3[P]1(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc3ccccc3c1c1c3ccccc3ccc1[P]2(c1ccc(cc1)C)c1ccc(cc1)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Authors of publication	Prof. Clemente Dore Augusto; Prof. Marzotto Armando
Journal of publication	Acta Crystallographica Section B
Year of publication	2004
Journal volume	60
Journal issue	3
Pages of publication	287 - 292
a	29.327 ± 0.012 Å
b	16.743 ± 0.007 Å
c	19.458 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9554 ± 6 Å³
Cell temperature	0 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK\α
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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