Crystallography Open Database

Information card for entry 7125570

Preview

Coordinates	7125570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H168 Na6 O36 Sb6
Calculated formula	C132 H168 Na6 O36 Sb6
SMILES	c12c(cccc1C)[O]1[Na]34([O]5CCCC5)([O]5CCCC5)[O]5c6c(cccc6C)[O]6[Na]7([O]8CCCC8)([O]8CCCC8)([O]2[Sb]156)[O]1c2c(c(ccc2)C)[O]2[Na]5([O]6CCCC6)([O]6CCCC6)([O]6c8c(c(ccc8)C)[O]7[Sb]126)Oc1c(cccc1C)[O]1[Na]2([O]6CCCC6)([O]6CCCC6)([O]6c7c(c(ccc7)C)[O]7[Na]8([O]9CCCC9)([O]9CCCC9)([O](c9c(c(ccc9)C)O2)[Sb]67)[O]2c6c(c(ccc6)C)[O]6[Na]7([O]9c%10c(cccc%10C)[O]3[Sb]39[O]7c7c(c(ccc7)C)[O]43)([O]3CCCC3)([O]3CCCC3)[O](c3c(c(ccc3)C)O8)[Sb]26)[O]2c3c(cccc3C)[O]5[Sb]12
Title of publication	A twenty-four membered mixed-metal macrocycle; synthesis and structure of cyclo-[(3-Me-1,2-C6H3O2)2SbNa(THF)2]6.
Authors of publication	Paver, Michael A.; Joy, Jonathan S.; Hursthouse, Michael B.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2002
Journal issue	18
Pages of publication	2150 - 2151
a	15.7605 ± 0.0012 Å
b	16.6786 ± 0.0013 Å
c	17.2709 ± 0.0016 Å
α	103.943 ± 0.004°
β	100.057 ± 0.004°
γ	98.356 ± 0.004°
Cell volume	4254.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1997
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.2082
Weighted residual factors for all reflections included in the refinement	0.2511
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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
244048 (current)	2019-11-28	cif/ Adding structures of 7125570 via cif-deposit CGI script.	7125570.cif