Crystallography Open Database

Information card for entry 7002417

Preview

Coordinates	7002417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H38 N12 O9 Pb2
Calculated formula	C56 H36 N12 O9 Pb2
SMILES	c12[n]3cccc1ccc1c2[n](ccc1)[Pb]13(n2c(O[Pb]3([n]4cccc5ccc6c([n]3ccc6)c45)(n3c(O1)c1ccccc1c(=O)[nH]3)Oc1n[nH]c(=O)c3ccccc13)c1c(c(=O)[nH]2)cccc1)Oc1n[nH]c(=O)c2ccccc12.O
Title of publication	Preparation and structural characterization of a series of monoacylhydrazidate-bridged coordination polymers
Authors of publication	Yu, Jie-Hui; Zhu, Yan-Chun; Wu, Di; Yu, Yang; Hou, Qin; Xu, Ji-Qing
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	39
Pages of publication	8248 - 8256
a	23.13 ± 0.005 Å
b	13.315 ± 0.003 Å
c	16.431 ± 0.003 Å
α	90°
β	112.62 ± 0.03°
γ	90°
Cell volume	4671 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0408
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179724 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/24.	7002417.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002417.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002417.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002417.cif