Crystallography Open Database

Information card for entry 4337066

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Structure parameters

Formula	C36 H26 N8 Pd
Calculated formula	C36 H26 N8 Pd
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	12.0251 ± 0.0005 Å
b	13.1586 ± 0.0005 Å
c	9.0323 ± 0.0004 Å
α	90°
β	94.58 ± 0.002°
γ	90°
Cell volume	1424.65 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0758
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4337066.cif
179473	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.	4337066.cif
103133	2014-02-25	cif/ Adding structures of 4337066 via cif-deposit CGI script.	4337066.cif