Crystallography Open Database

Information card for entry 4345294

Preview

Coordinates	4345294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H100 F36 N24 O2 P6 Pd3
Calculated formula	C66 H93 F36 N24 O2 P6 Pd3
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	10.2315 ± 0.001 Å
b	25.684 ± 0.003 Å
c	38.714 ± 0.004 Å
α	90°
β	94.802 ± 0.003°
γ	90°
Cell volume	10137.8 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1893
Weighted residual factors for all reflections included in the refinement	0.2106
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
194803 (current)	2017-04-04	cif/ Updating files of 4345294, 4345295, 4345296 Original log message: Adding full bibliography for 4345294--4345296.cif.	4345294.cif
192786	2017-03-03	cif/ Adding structures of 4345294 via cif-deposit CGI script.	4345294.cif