Crystallography Open Database

Information card for entry 1569934

Preview

Coordinates	1569934.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)chromium(II)](<i>Cr</i>—<i>Cr</i>)
Formula	C16 H28 Cr2 O10
Calculated formula	C16 H28 Cr2 O10
SMILES	C1(C)=[O][Cr]234(OC(C)=[O][Cr]2(O1)([O]=C(C)O3)(OC(C)=[O]4)[O]1CCCC1)[O]1CCCC1
Title of publication	Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]
Authors of publication	Heiser, Christian; Merzweiler, Kurt
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	9
Pages of publication	x230801
a	20.833 ± 0.004 Å
b	9.6413 ± 0.0015 Å
c	15.654 ± 0.003 Å
α	90°
β	136.283 ± 0.01°
γ	90°
Cell volume	2173 ± 0.8 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	4
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	0.0315
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1569934.cif
286488	2023-09-23	cif/ Adding structures of 1569934 via cif-deposit CGI script.	1569934.cif