Crystallography Open Database

Information card for entry 7712152

Preview

Coordinates	7712152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Cl6 Pd2
Calculated formula	C40 H36 Cl4 Pd2
Title of publication	Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.
Authors of publication	Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1568 - 1573
a	29.5654 ± 0.0007 Å
b	12.3888 ± 0.0003 Å
c	23.065 ± 0.0006 Å
α	90°
β	113.243 ± 0.0008°
γ	90°
Cell volume	7762.6 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	4
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	0.0405
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283295 (current)	2023-05-05	cif/ Updating files of 7712149, 7712150, 7712151, 7712152, 7712153 Original log message: Adding full bibliography for 7712149--7712153.cif.	7712152.cif
280423	2023-01-19	cif/ Adding structures of 7712149, 7712150, 7712151, 7712152, 7712153 via cif-deposit CGI script.	7712152.cif