Crystallography Open Database

Information card for entry 2022646

2022645 << 2022646 >> 2022647

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Structure parameters

Chemical name	<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^]
Formula	C12 H12 Fe N8
Calculated formula	C12 H12 Fe N8
Title of publication	Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]
Authors of publication	Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	8
a	7.4901 ± 0.0002 Å
b	18.3242 ± 0.0005 Å
c	10.6219 ± 0.0003 Å
α	90°
β	110.017 ± 0.001°
γ	90°
Cell volume	1369.79 ± 0.07 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 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	0.0543
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
276891 (current)	2022-07-23	cif/ hkl/ Adding structures of 2022645, 2022646 via cif-deposit CGI script.	2022646.cif 2022646.hkl