Crystallography Open Database

Information card for entry 4509027

Preview

Coordinates	4509027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H126 Ca Fe10 N4 O20 Zn4
Calculated formula	C140 H126 Ca Fe10 N4 O20 Zn4
Title of publication	Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties
Authors of publication	Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	903
a	10.6838 ± 0.0003 Å
b	16.8693 ± 0.0005 Å
c	18.8666 ± 0.0006 Å
α	73.368 ± 0.003°
β	74.888 ± 0.003°
γ	75.342 ± 0.003°
Cell volume	3086.3 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
179626 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/90.	4509027.cif
97077	2014-01-29	cif/ Adding structures of 4509022, 4509023, 4509024, 4509025, 4509026, 4509027, 4509028 via cif-deposit CGI script.	4509027.cif