Crystallography Open Database

Information card for entry 4324675

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Structure parameters

Common name	complex5
Formula	C42 H51 B2 F8 N3 O P2 Pd
Calculated formula	C42 H51 B2 F8 N3 O P2 Pd
Title of publication	Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes
Authors of publication	Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2545 - 2552
a	11.5799 ± 0.0009 Å
b	11.3663 ± 0.0009 Å
c	33.729 ± 0.003 Å
α	90°
β	95.942 ± 0.002°
γ	90°
Cell volume	4415.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0592
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324675.cif
179349	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324675.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324675.cif
42894	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324675 via cif-deposit CGI script.	4324675.cif