Crystallography Open Database

Information card for entry 4345295

Preview

Coordinates	4345295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H120 N32 O28 Pd4
Calculated formula	C80 H120 N32 O28 Pd4
SMILES	c1n2cc[n]1[Pd]1([n]3cn(cc3)c3c(cc(n4cc[n](c4)[Pd]4([n]5cn(cc5)c5cc(c(n6c[n](cc6)[Pd]6([n]7ccn(c7)c7cc(c(n8cc[n](c8)[Pd]8([n]9cn(cc9)c9cc(C)c2cc9C)[N](CC[N]8(C)C)(C)C)cc7C)C)[N](CC[N]6(C)C)(C)C)cc5C)C)[N](C)(CC[N]4(C)C)C)c(c3)C)C)[N](CC[N]1(C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
Title of publication	Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly.
Authors of publication	Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3579 - 3588
a	8.977 ± 0.002 Å
b	16.826 ± 0.004 Å
c	19.366 ± 0.004 Å
α	89.882 ± 0.006°
β	80.001 ± 0.006°
γ	85.863 ± 0.006°
Cell volume	2873.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1878
Residual factor for significantly intense reflections	0.0935
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
194803 (current)	2017-04-04	cif/ Updating files of 4345294, 4345295, 4345296 Original log message: Adding full bibliography for 4345294--4345296.cif.	4345295.cif
192787	2017-03-03	cif/ Adding structures of 4345295 via cif-deposit CGI script.	4345295.cif