Crystallography Open Database

Information card for entry 4331543

Preview

Coordinates	4331543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H80 N20 O20 Pd4
Calculated formula	C72 H80 N20 O20 Pd4
Title of publication	Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.
Authors of publication	Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	25
Pages of publication	9471 - 9488
a	18.463 ± 0.004 Å
b	20.759 ± 0.004 Å
c	22.208 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8512 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179418 (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 4/33/15.	4331543.cif
120066	2014-07-11	cif/ Updating files of 4331538, 4331539, 4331540, 4331541, 4331542, 4331543 Original log message: Adding full bibliography for 4331538--4331543.cif.	4331543.cif
97693	2014-01-29	cif/ Adding structures of 4331538, 4331539, 4331540, 4331541, 4331542, 4331543 via cif-deposit CGI script.	4331543.cif