Crystallography Open Database

Information card for entry 4510942

Preview

Coordinates	4510942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Br N3 Pd
Calculated formula	C30 H28 Br N3 Pd
SMILES	[Pd]1(Br)(c2ccccc2C[N]1(C)C)=C1N(Cc2c3c4c(ccc5c4c(cc3)ccc5)cc2)C=CN1C
Title of publication	Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions
Authors of publication	Sabater, Sara; Mata, Jose A.; Peris, Eduardo
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	6
Pages of publication	2038
a	35.108 ± 0.005 Å
b	12.2811 ± 0.0007 Å
c	18.782 ± 0.003 Å
α	90°
β	140.71 ± 0.03°
γ	90°
Cell volume	5128 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0526
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179656 (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 4/51/09.	4510942.cif
119017	2014-07-05	cif/ Updating files of 4510942 Original log message: Adding full bibliography for 4510942.cif.	4510942.cif
114370	2014-05-24	cif/ Adding structures of 4510942 via cif-deposit CGI script.	4510942.cif