Crystallography Open Database

Information card for entry 4335274

Preview

Coordinates	4335274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H63 B F4 N10 O17 Pd
Calculated formula	C57 H63 B F4 N10 O17 Pd
Title of publication	Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold
Authors of publication	Yulia Visitaev; Israel Goldberg; Arkadi Vigalok
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6779 - 6781
a	11.709 ± 0.0002 Å
b	20.1929 ± 0.0003 Å
c	26.3218 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6223.5 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179455 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335274.cif
101183	2014-02-10	cif/ Adding structures of 4335274 via cif-deposit CGI script.	4335274.cif