Crystallography Open Database

Information card for entry 1573816

Preview

Coordinates	1573816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H108 Cl2 N8 Pd6 Si2
Calculated formula	C109 H108 Cl2 N8 Pd6 Si2
Title of publication	A coordination polymer with a silylene-supported Pd<sub>6</sub> core as an efficient heterogeneous hydrogenation catalyst.
Authors of publication	Mitomo, Taiga; Wada, Yoshimasa; Suda, Tetsuro; Tamura, Atsushi; Yagi, Shunsuke; Kikkawa, Soichi; Yamazoe, Seiji; Sunada, Yusuke
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	10
Pages of publication	4450 - 4455
a	16.1964 ± 0.0008 Å
b	18.6192 ± 0.0011 Å
c	18.8234 ± 0.0011 Å
α	83.984 ± 0.005°
β	80.702 ± 0.004°
γ	73.139 ± 0.005°
Cell volume	5351 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.274
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
298794 (current)	2025-04-05	cif/ Updating files of 1573816 Original log message: Adding full bibliography for 1573816.cif.	1573816.cif
297537	2025-01-31	cif/ Adding structures of 1573816 via cif-deposit CGI script.	1573816.cif