Crystallography Open Database

Information card for entry 4320751

4320750 << 4320751 >> 4320752

Preview

Coordinates	4320751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H88 N16 O26 Pd4
Calculated formula	C52 H84 N16 O26 Pd4
Title of publication	Construction of a Square-Planar Molecular Box: Self-Assembly of Palladium(II) Complexes of 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triacon -11,13,24,26(1),27,29-hexaene through Hydrogen-Bonding Interactions
Authors of publication	Weijiang He; Fang Liu; Chunying Duan; Zijian Guo; Shaozhen Zhou; Yongjiang Liu; Longgen Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	7065 - 7071
a	9.696 ± 0.0019 Å
b	13.32 ± 0.003 Å
c	14.605 ± 0.003 Å
α	93.3 ± 0.03°
β	90.63 ± 0.03°
γ	104.05 ± 0.03°
Cell volume	1826.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0847
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179310 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/07.	4320751.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320751.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320751.cif
17996	2011-04-15	../uploads/cif-deposit/cod/cif Adding structures of 4320751 via cif-deposit CGI script.	4320751.cif