Crystallography Open Database

Information card for entry 7037582

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Structure parameters

Formula	C36 H50 N18 O12 Pd2
Calculated formula	C36 H50 N18 O12 Pd2
Title of publication	Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.
Authors of publication	Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20493 - 20501
a	36.708 ± 0.005 Å
b	17.753 ± 0.005 Å
c	15.432 ± 0.005 Å
α	90°
β	102.721 ± 0.005°
γ	90°
Cell volume	9810 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1069
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7037582.cif
170877	2015-12-07	cif/ Adding structures of 7037580, 7037581, 7037582 via cif-deposit CGI script.	7037582.cif