Crystallography Open Database

Information card for entry 4077953

Preview

Coordinates	4077953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Cl2 Cr P2 Pd
Calculated formula	C36 H54 Cl2 Cr P2 Pd
Title of publication	Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes
Authors of publication	Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3027
a	26.3695 ± 0.0018 Å
b	18.7072 ± 0.0011 Å
c	17.5347 ± 0.0012 Å
α	90°
β	122.045 ± 0.003°
γ	90°
Cell volume	7331.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0683
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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
178668 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/79.	4077953.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077953.cif
57644	2012-05-18	cif/ Adding structures of 4077953, 4077954, 4077955, 4077956, 4077957, 4077958, 4077959 via cif-deposit CGI script.	4077953.cif