Crystallography Open Database

Information card for entry 4503616

Preview

Coordinates	4503616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 N4 O12 Pd0.5
Calculated formula	C27 H19 N4 O12 Pd0.5
Title of publication	Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest-Organic Host Supramolecular System
Authors of publication	Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2073 - 2075
a	9.24 ± 0.0005 Å
b	11.8761 ± 0.0006 Å
c	12.9567 ± 0.0007 Å
α	65.267 ± 0.001°
β	88.59 ± 0.001°
γ	82.44 ± 0.001°
Cell volume	1279.42 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503616.cif
132556	2015-02-28	cif/ (antanas@koala.ibt.lt) Removing '===END.*" strings that were accidentally "glued" to the '_refine_diff_density_rms' tags value from 18 CIFs in range 4.	4503616.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503616.cif
41663	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503615, 4503616, 4503617 via cif-deposit CGI script.	4503616.cif