Crystallography Open Database

Information card for entry 7202137

7202136 << 7202137 >> 7202138

Preview

Coordinates	7202137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H33.5 Cl2 N2 O4.75 Pd
Calculated formula	C39 H32 Cl2 N2 O4.75 Pd
Title of publication	Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers
Authors of publication	Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	9
Pages of publication	1120
a	19.4585 ± 0.0018 Å
b	20.414 ± 0.002 Å
c	17.2783 ± 0.0015 Å
α	90°
β	93.127 ± 0.008°
γ	90°
Cell volume	6853.2 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1116
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7202137.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202137.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202137.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202137.cif