Crystallography Open Database

Information card for entry 8000127

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Structure parameters

Formula	C20 H14 N4 O2 Pd
Calculated formula	C20 H14 N4 O2 Pd
Title of publication	2-Picolinoylpyrrole: A New Entry to Metal-complexing Agent
Authors of publication	Ono, Yuki; Furuta, Hiroyuki
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	7
Pages of publication	750
a	7.7254 ± 0.0006 Å
b	13.6383 ± 0.001 Å
c	8.3111 ± 0.0006 Å
α	90°
β	99.296 ± 0.002°
γ	90°
Cell volume	864.17 ± 0.11 Å³
Cell temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000127.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000127.cif
94275	2014-01-22	cif/ Adding structures of 8000127 via cif-deposit CGI script.	8000127.cif