Crystallography Open Database

Information card for entry 4511978

4511977 << 4511978 >> 4511979

Preview

Coordinates	4511978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 O P4 Pd2 S4
Calculated formula	C46 H74 O P4 Pd2 S4
Title of publication	Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams
Authors of publication	Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	10
Pages of publication	3605
a	18.0562 ± 0.0008 Å
b	14.0451 ± 0.0007 Å
c	22.0832 ± 0.0009 Å
α	90°
β	113.61 ± 0.002°
γ	90°
Cell volume	5131.5 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
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
179666 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19.	4511978.cif
124620	2014-10-06	cif/ Updating files of 4511978, 4511979 Original log message: Adding full bibliography for 4511978--4511979.cif.	4511978.cif
123891	2014-09-16	cif/ Adding structures of 4511978, 4511979 via cif-deposit CGI script.	4511978.cif