Crystallography Open Database

Information card for entry 4337064

Preview

Coordinates	4337064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Cl6 N6 Pd
Calculated formula	C30 H22 Cl6 N6 Pd
SMILES	c1ccc2n1[Pd]1(n3cccc3C(=c3ccc[n]13)c1ccncc1)[n]1c(=C2c2ccncc2)ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks
Authors of publication	Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14439 - 14448
a	9.38 ± 0.0002 Å
b	9.4527 ± 0.0002 Å
c	9.5969 ± 0.0002 Å
α	79.436 ± 0.001°
β	85.514 ± 0.001°
γ	65.827 ± 0.001°
Cell volume	763.14 ± 0.03 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	0.031
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179473 (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 4/33/70.	4337064.cif
103131	2014-02-25	cif/ Adding structures of 4337064 via cif-deposit CGI script.	4337064.cif